Information card for entry 7005687

Structure parameters

• Formula: C27 H22 B F14 P
• Calculated formula: C27 H22 B F14 P
• SMILES: [P+](c1c(F)c(F)c(c(F)c1F)[BH](c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C(C)C)(C(C)C)C(C)C
• Title of publication: Tuning Lewis acidity using the reactivity of "frustrated Lewis pairs": facile formation of phosphine-boranes and cationic phosphonium-boranes.
• Authors of publication: Welch, Gregory C.; Cabrera, Lourdes; Chase, Preston A.; Hollink, Emily; Masuda, Jason D.; Wei, Pingrong; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 31
• Pages of publication: 3407 - 3414
• a: 9.3212 ± 0.0007 Å
• b: 16.4421 ± 0.0013 Å
• c: 17.8541 ± 0.0014 Å
• α: 90°
• β: 91.044 ± 0.001°
• γ: 90°
• Cell volume: 2735.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No